Spektraris NMR
Crotozambefuran C
Common Name: Crotozambefuran C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-11-5-7-20-13(17(22)25-2)3-4-14(27-18(20)23)16(20)21(11)9-15(28-19(21)24)12-6-8-26-10-12/h3,6,8,10-11,14-16H,4-5,7,9H2,1-2H3/t11-,14-,15+,16+,20-,21-/m1/s1
InChIKey: InChIKey=NUKMRHUFXQHPKW-CASRWNJHSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ngadjui, B.T., Abegaz, B.M., Keumedjio, F., Folefoc, G.N., Kapche, G.W. Phytochemistry (2002) 60, 345-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 75 |
| 2 (CH2) | 34.8 |
| 3 (CH) | 138 |
| 4 (C) | 137.1 |
| 5 (C) | 45.4 |
| 6 (CH2) | 25.3 |
| 7 (CH2) | 26.7 |
| 8 (CH) | 39.3 |
| 9 (C) | 50.3 |
| 10 (CH) | 52.2 |
| 11 (CH2) | 42.3 |
| 12 (CH) | 72.4 |
| 13 (C) | 125.5 |
| 14 (CH) | 109.9 |
| 15 (CH) | 145.3 |
| 16 (CH) | 141.9 |
| 17 (CH3) | 17.8 |
| 18 (C) | 165.6 |
| 19 (C) | 175.4 |
| 20 (C) | 176 |
| 18a (CH3) | 52.6 |
